Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8655673 | 0.82 | HSD17B10 (0.47) | ESR1KCNH2SMN1; SMN2HDAC3MAPK1 | |
| SCHEMBL9459072 | 0.79 | ESR1 (0.60) | ESR1KCNH2NPC1RAB9AMEN1 | |
| SCHEMBL29009771 | 0.78 | SMN1; SMN2 (0.49) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL10203389 | 0.77 | HDAC3 (0.52) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL6679690 | 0.76 | NPC1 (0.67) | ESR1KCNH2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4462033 | 0.76 | NPC1 (0.67) | ESR1KCNH2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8420771 | 0.76 | NPC1 (0.67) | ESR1KCNH2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL20874537 | 0.74 | SMN1; SMN2 (0.63) | SMN1; SMN2MAPK1NPC1RAB9AMEN1 | |
| SCHEMBL31512109 | 0.73 | HDAC3 (0.68) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL2878880 | 0.73 | HDAC3 (0.68) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5501987-A | LABELS FOR DRUGS | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |